%chk=000003513.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003513

0 1
 Cl  -4.221100       1.544900       1.526300    
 O    4.087300      -1.890400     -6.2100001E-02
 O    4.103400       2.579500      -1.061500    
 O   -2.958000     -2.7200000E-02  -1.959200    
 O   -2.497000      -3.708700     -0.3570000    
 O   -1.323600      -2.908300      -2.030900    
 O   -4.189800       1.859600      -1.661200    
 N    1.428600       2.064700     -0.1870000    
 N    4.477300      0.3159000     -0.6799000    
 N   -1.538300      -3.031600     -0.8007000    
 C    2.382600     -0.1967000      5.9700001E-02
 C    2.389500       1.113000     -0.2362000    
 C    1.256100     -0.9918000      0.5512000    
 C    3.735400     -0.7346000     -0.2255000    
 C    3.746800       1.466700     -0.7133000    
 C   8.4399998E-02   1.939100      0.2094000    
 C   0.4030000      -1.626600     -0.3516000    
 C    1.036500      -1.114900       1.923200    
 C  -0.6698000      -2.384500      0.1177000    
 C  -0.8975000       1.621400     -0.7314000    
 C  -0.2726000       2.132000       1.545700    
 C  -3.6600001E-02  -1.872700       2.392300    
 C   -2.229900       1.497100     -0.3379000    
 C  -0.8897000      -2.507400       1.489500    
 C   -1.604900       2.007700       1.939200    
 C   -2.583600       1.690200      0.9975000    
 C   -3.218400       1.163600      -1.356300    
 H    1.696000       2.993100     -0.4968000    
 H    5.451300      0.2503000     -0.9530000    
 H   0.5922000      -1.517900      -1.417700    
 H    1.692600     -0.6262000       2.639300    
 H  -0.6173000       1.475700      -1.772800    
 H   0.4814000       2.379700       2.288600    
 H  -0.2081000      -1.967200       3.460600    
 H   -1.715800      -3.088600       1.891300    
 H   -1.863500       2.160500       2.984000    
 H   -3.626600     -0.2448000      -2.643200    


%chk=000003513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003513

0 1
Cl -4.289173 3.102796 1.534460
O 3.561896 -1.932937 -1.410860
O 4.206445 2.595803 -0.332669
O -2.425751 0.063560 -1.448790
O -1.722143 -5.078291 -0.707633
O -0.196507 -4.409710 -2.264030
O -4.354656 0.933477 -0.503774
N 1.599657 2.109823 0.555375
N 4.229120 0.314704 -1.050552
N -0.792743 -4.285040 -1.127115
C 2.088961 -0.290641 -0.254083
C 2.300214 1.062317 0.004119
C 1.006186 -1.200436 0.149573
C 3.308334 -0.787708 -0.967746
C 3.693278 1.453618 -0.466855
C 0.207558 2.280624 0.757543
C 0.638532 -2.300570 -0.670844
C 0.325394 -1.017672 1.389404
C -0.396067 -3.153865 -0.245980
C -0.754343 1.545274 0.030734
C -0.225528 3.267340 1.683664
C -0.703103 -1.894865 1.794107
C -2.146529 1.748954 0.230469
C -1.082145 -2.977492 0.976127
C -1.597441 3.489672 1.881817
C -2.556790 2.732387 1.171752
C -3.106962 0.921873 -0.564747
H 2.192986 2.942624 0.691554
H 5.156952 0.242832 -1.468565
H 1.142607 -2.495109 -1.620081
H 0.630190 -0.204702 2.055702
H -0.453464 0.822710 -0.727880
H 0.507292 3.851294 2.251744
H -1.206221 -1.735727 2.752968
H -1.874088 -3.675416 1.258722
H -1.935338 4.246458 2.595034
H -3.094310 -0.473360 -1.952364


